SCHEMBL4820128

SCHEMBL4820128

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc(N)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.62
EGFR P00533 4/20 0.62
KDR P35968 3/20 0.62
PIK3CD O00329 1/20 0.62
ABL1 P00519 1/20 0.62
HCK P08631 1/20 0.62
PIK3CA P42336 1/20 0.62
PIK3CB P42338 1/20 0.62
MTOR P42345 1/20 0.62
PIK3CG P48736 1/20 0.62
EPHB4 P54760 1/20 0.62
PRKDC P78527 1/20 0.62
PI4KB Q9UBF8 1/20 0.62
BTK Q06187 9/20 0.57
RET P07949 2/20 0.57
NUDT14 O95848 1/20 0.55
NUDT5 Q9UKK9 1/20 0.55
TGFBR1 P36897 1/20 0.55
FGFR1 P11362 1/20 0.54
FGFR2 P21802 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1317966 0.94 SRC (0.61) SRCEGFRKDRPIK3CDABL1
SCHEMBL1319872 0.94 SRC (0.61) SRCEGFRKDRPIK3CDABL1
SCHEMBL1317965 0.94 SRC (0.61) SRCEGFRKDRPIK3CDABL1
SCHEMBL25933738 0.89 BTK (0.63) SRCEGFRKDRPIK3CDABL1
SCHEMBL17951556 0.89 BTK (0.73) SRCEGFRKDRBTKNUDT14
SCHEMBL24197214 0.89 BTK (0.63) SRCEGFRKDRPIK3CDABL1
SCHEMBL13860318 0.89 BTK (0.66) SRCEGFRKDRPIK3CDABL1
SCHEMBL13860319 0.89 BTK (0.66) SRCEGFRKDRPIK3CDABL1
SCHEMBL24197325 0.89 EGFR (0.63) SRCEGFRKDRPIK3CDABL1
SCHEMBL30331346 0.87 BTK (0.61) SRCEGFRKDRPIK3CDABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885EGFR 1992/4885KDR 836/4885
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 SRC 87/4885EGFR 432/4885KDR 648/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885EGFR 2229/4885KDR 1166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.